Basic information
- CAS
63112-50-5- Standard SMILES
C[NH+](C)Cc1c(O)ccc2oc(-c3ccccc3)c(Br)c12.[Cl-]- InChIKey
HICACGDEIMQAKP-UHFFFAOYSA-N- Molecular formula
- C17H17BrClNO2
- Average molar mass
- 382.7 g/mol
- Monoisotopic mass
- 381.01312
Names & identifiers
- Preferred name
- 5-Benzofuranol, 3-bromo-4-((dimethylamino)methyl)-2-phenyl-, hydrochloride
- IUPAC
- (3-bromo-5-hydroxy-2-phenyl-1-benzofuran-4-yl)methyl-dimethylazanium chloride
Names & synonyms
3-Bromo-4-((dimethylamino)methyl)-2-phenyl-5-benzofuranol hydrochloride63112-50-52-Phenyl-3-bromo-4-dimethylaminomethyl-5-hydroxybenzofuran hydrochloride5-BENZOFURANOL, 3-BROMO-4-((DIMETHYLAMINO)METHYL)-2-PHENYL-, HYDROCHLORIDERefChem:301222
Database identifiers
- CAS
63112-50-5- PubChem CID
- 44402
Properties
Computed structural properties
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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